Maximun Not Common Structure??

User 8a54d6f83f

25-01-2010 16:58:25

Hello,
I like to know if there is any method with which, two given molecules, obtain another molecule with different parts of the initial molecules.
Something like MCS but with the not common structure.
Sorry for my english.
Thanks a lot

ChemAxon efa1591b5a

03-02-2010 10:14:54

Hi, 


That's an interesting idea. We can implement it for you in v 5.3.1.


Can you tell us more about the intended usage of this complementary MCS?


Regards


Miklos

User 8a54d6f83f

03-02-2010 14:46:57

Hello
I'm trying to show the common and uncommon parts of two molecules and then applied to each molecule obtained (the common and the uncommon) different algorithms.


Thank you very much

ChemAxon 990acf0dec

25-02-2010 18:41:24

Hi,

I would like to inform you that we had to make an urgent patch release that was named 5.3.1, therefore the feature promised in this topic will be included only in the patch release coming at the end of March (probably named 5.3.2).

Best regards,

Akos

User 8a54d6f83f

26-02-2010 08:38:08

Thanks for the information.


Regards.

ChemAxon efa1591b5a

16-02-2011 11:55:13

Hi There,


Please be informed that the required functionality is available in JChem 5.4. 


The methods you may wish to try to use are called getUnmatched and there are some variants of them.


Miklos

User 8a54d6f83f

16-02-2011 15:00:48


Thank you. I will prove it.


Regards.